N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine

C17H32N2O — CID 62258682

IUPACN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C17H32N2O/c1-14-3-7-16(8-4-14)19(2)12-17(9-10-20-13-17)11-18-15-5-6-15/h14-16,18H,3-13H2,1-2H3
InChIKeyXODYRIILHIHJDP-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds6

About N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine

N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62258682) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62258682
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C17H32N2O/c1-14-3-7-16(8-4-14)19(2)12-17(9-10-20-13-17)11-18-15-5-6-15/h14-16,18H,3-13H2,1-2H3
InChIKeyXODYRIILHIHJDP-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine (CID 62258682) is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is XODYRIILHIHJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-3-7-16(8-4-14)19(2)12-17(9-10-20-13-17)11-18-15-5-6-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62258682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).